SCHEMBL2067587

SCHEMBL2067587

NC(c1cccc2ccccc12)C(N)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
KEAP1 Q14145 1/20 0.48
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
AOC3 Q16853 1/20 0.44
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
HPRT1 P00492 1/20 0.42
SLC6A4 P31645 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9906119 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL24017144 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL29887508 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL30098262 0.98 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL14119362 0.98 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL19951713 0.98 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL12101209 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL31360342 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL25155348 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL11817158 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273132-A2 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF Gilead Sciences, Inc. (US) 2023-11-08 EP disclosed
EP-3589636-B1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
CN-115449529-A Process for preparing ACC inhibitors and solid forms thereof 吉利德科学公司 2022-12-09 CN disclosed
CN-110382503-B Process for preparing ACC inhibitors and solid forms thereof 吉利德科学公司 2022-07-19 CN disclosed
WO-2021223156-A1 DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-11-11 WO disclosed
US-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof GILEAD SCIENCES, INC. (US) 2020-08-18 US disclosed
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2020-06-25 US disclosed
US-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-29 US disclosed
US-20180298025-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2018-10-18 US disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
EP-2241545-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND METHOD FOR PRODUCING THE SAME Nippon Soda Co., Ltd. (JP) 2010-10-20 EP disclosed
US-7625895-B2 Diphenyl-dihydro-imidazopyridinones Hoffmann-Le Roche Inc. (US) 2009-12-01 US disclosed
US-7625895-B2 Diphenyl-dihydro-imidazopyridinones Hoffmann-Le Roche Inc. (US) 2009-12-01 US disclosed
WO-2008125487-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 WO disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions SOD1, YWHAZ, L1CAM ALDH1A1 1064/4885CYP1A2 579/4885CYP2C9 608/4885
US-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 ALDH1A1 257/4885CYP1A2 1170/4885CYP2C9 1018/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 ALDH1A1 1001/4885CYP1A2 287/4885CYP2C9 505/4885
US-20180298025-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 ALDH1A1 257/4885CYP1A2 1170/4885CYP2C9 1018/4885
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof ACACA, ACACB, ACAT2 ALDH1A1 257/4885CYP1A2 1170/4885CYP2C9 1018/4885
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES TP53, MDM2, TP53BP1 ALDH1A1 3275/4885CYP1A2 4053/4885CYP2C9 4271/4885
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 ALDH1A1 257/4885CYP1A2 1170/4885CYP2C9 1018/4885
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 ALDH1A1 222/4885CYP1A2 51/4885CYP2C9 104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.